Mahmoud Jarraya

ORCID: 0000-0002-6035-4252
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About
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Research Areas
  • Advanced Chemical Physics Studies
  • Atmospheric Ozone and Climate
  • Spectroscopy and Quantum Chemical Studies
  • Mass Spectrometry Techniques and Applications
  • Spectroscopy and Laser Applications
  • Water Quality Monitoring and Analysis
  • Photoreceptor and optogenetics research
  • Atmospheric and Environmental Gas Dynamics
  • Biochemical effects in animals
  • Photochemistry and Electron Transfer Studies
  • Molecular Spectroscopy and Structure
  • Isotope Analysis in Ecology
  • Crystallography and molecular interactions
  • Gamma-ray bursts and supernovae
  • Galaxies: Formation, Evolution, Phenomena
  • Atmospheric chemistry and aerosols
  • Astro and Planetary Science
  • Chemical Thermodynamics and Molecular Structure
  • Astronomy and Astrophysical Research

Université Gustave Eiffel
2021-2024

Tunis El Manar University
2021-2023

Tunis University
2021-2023

Sorbonne Université
2023

Laboratoire Interdisciplinaire Sciences, Innovations, Sociétés
2021-2022

Laboratoire d'Informatique Gaspard-Monge
2021

Laboratoire Instrumentation, Simulation et Informatique Scientifique
2021

Vibrational spectroscopy in supersonic jet expansions is a powerful tool to assess molecular aggregates close ideal conditions for the benchmarking of quantum chemical approaches. The low temperatures achieved as well absence environment effects allow direct comparison between computed and experimental spectra. This provides potential data which can be revisited hone different computational techniques, it allows critical analysis procedures under setting blind challenge. In latter case,...

10.1039/d3cp01216f article EN cc-by Physical Chemistry Chemical Physics 2023-01-01

Molecular oxygen, O 2 , is vital to life on Earth and possibly also exoplanets. Although the biogenic processes leading its accumulation in Earth’s atmosphere are well understood, abiotic origin still not fully established. Here, we report combined experimental theoretical evidence for electronic state–selective production of from SO a chemical constituent many planetary atmospheres one that played an important part Great Oxidation Event. The involves dissociative double ionization efficient...

10.1126/sciadv.abq5411 article EN cc-by-nc Science Advances 2022-08-19

Abstract Using multi-electron–ion coincidence measurements combined with high level calculations, we show that double ionisation of SO 2 at 40.81 eV can be state selective. It leads to energy products, in good yield, via a newly identified mechanism, which is likely apply widely multiple by almost all impact processes.

10.1038/s41598-021-96405-5 article EN cc-by Scientific Reports 2021-08-24

The dissociation of OCS2+ ions formed by photoionization the neutral molecule at 40.81 eV is examined using threefold and fourfold electron-ion coincidence spectroscopy combined with high level quantum chemical calculations on isomeric structures their potential energy surfaces. dominant channel [OCS]2+ charge separation forming CO+ + S+ ion pairs, found here to be low intensity a lower-energy onset correspondingly smaller kinetic release than in more intense higher previously reported. We...

10.1039/d3cp01688a article EN Physical Chemistry Chemical Physics 2023-01-01

The dynamics of the electronically excited pyruvic acid (PA) and its unimolecular decomposition upon single photon ionisation are investigated by means a table top fs laser VUV synchrotron radiation. latter is coupled with photo-ion/photo-electron coincidence acquisition devices that allow identification ionic products coming from state-to-state fragmentation ionisation. fs-based setup provides time-resolved mass spectra 266 nm (= 4.661 eV) excitation an 800 multiphoton probe. For...

10.1039/d2fd00023g article EN Faraday Discussions 2022-01-01

Characterizing the microhydration of organic molecules is a crucial step in understanding many phenomena relevant to atmospheric, biological, and industrial applications.

10.1039/d4cp01035c article EN Physical Chemistry Chemical Physics 2024-01-01

Vibrational spectroscopy in supersonic jet expansions is a powerful tool to assess molecular aggregates close ideal conditions for the benchmarking of quantum chemical approaches. The low temperatures achieved as well absence environment effects allow direct comparison between computed and experimental spectra. This provides potential data which can be revisited hone different computational techniques, it allows critical analysis procedures under setting blind challenge. In latter case,...

10.26434/chemrxiv-2023-wd261 preprint EN cc-by 2023-03-03

Vibrational spectroscopy in supersonic jet expansions is a powerful tool to assess molecular aggregates close ideal conditions for the benchmarking of quantum chemical approaches. The low temperatures achieved as well absence environment effects allow direct comparison between computed and experimental spectra. This provides potential data which can be revisited hone different computational techniques, it allows critical analysis procedures under setting blind challenge. In latter case,...

10.26434/chemrxiv-2023-wd261-v2 preprint EN cc-by 2023-03-10

Galaxy clusters are useful laboratories to investigate the evolution of Universe, and accurately measuring their total masses allows us constrain important cosmological parameters. However, estimating mass from observations that use different methods spectral bands introduces various systematic errors. This paper evaluates a Convolutional Neural Network (CNN) reliably infer galaxy Compton-y parameter maps provided by Planck satellite. The CNN is trained with mock images generated...

10.48550/arxiv.2209.10333 preprint EN cc-by arXiv (Cornell University) 2022-01-01

The thionitroxyl radical (H 2 NS) isomers are characterized using advanced ab initio methodologies. Computations done standard and explicitly correlated coupled cluster, CASSCF MRCI approaches in conjunction with large basis sets, extrapolated to the complete set (CBS) limit. lowest electronic states of different mapped along stretching coordinates, thereby confirming existence four already known ground state structures, namely H NS, SN, cis- HNSH trans- HNSH. Also, it is shown that only...

10.3389/fspas.2021.641067 article EN cc-by Frontiers in Astronomy and Space Sciences 2021-05-04

Abstract Using multi-electron-ion coincidence measurements combined with high level calculations, we show that double ionization of SO 2 at 40.81 eV can be state selective. It leads to energy products, in good yield, via a newly identified mechanim, which is likely apply widely multiple by almost all impact processes.

10.21203/rs.3.rs-638182/v1 preprint EN cc-by Research Square (Research Square) 2021-06-25

Molecular oxygen, O$_2$, is vital to life on Earth and possibly other planets. Although the biogenic processes leading its accumulation in Earth's atmosphere are well understood, abiotic origin still not fully established. Here, we report combined experimental theoretical evidence for electronic-state-selective production of O$_2$ from SO$_2$, a major chemical constituent many planetary atmospheres one which played an important part Great Oxidation event. The involves dissociative double...

10.48550/arxiv.2108.12672 preprint EN cc-by arXiv (Cornell University) 2021-01-01
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